≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)OC(=O)N1CCC(C1)N2CCC(C2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-] |
|---|---|
| IUPAC Name | [1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium;bromide |
| InChIKey | ZKEAMDLNJODGFF-UMBBOSETSA-M |
| INCHI | 1S/C31H36N2O3P.BrH/c1-31(2,3)36-30(35)32-21-19-24(23-32)33-22-20-28(29(33)34)37(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27;/h4-18,24,28H,19-23H2,1-3H3;1H/q+1;/p-1/t24-,28?;/m0./s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CC[C@@H](C1)N2CCC(C2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-] |
| PubChem CID | 56923599 |
| Molecular Weight | 595.53 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylphosphines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylphosphines and derivatives |
| Alternative Parents | Pyrrolidine carboxylic acids Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Carbamate esters Tertiary amines Lactams Azacyclic compounds Organophosphorus compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Triphenylphosphine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Phenylphosphine - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Carbamic acid ester - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Organic salt - Organic bromide salt - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 595.500 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 594.165 Da |
| Monoisotopic Mass | 594.165 Da |
| Topological Polar Surface Area | 49.900 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 747.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
![((3'S)-1'-(tert-Butoxycarbonyl)-2-oxo-[1,3'-bipyrrolidin]-3-yl)triphenylphosphonium bromide - ≥95% , CAS No.400045-51-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)